Monomers

4,4-Dimethyl-2-vinyloxazol-5(4H)-one

Identifiers

IUPAC name
2-ethenyl-4,4-dimethyl-1,3-oxazol-5-one
InchI
InChI=1S/C7H9NO2/c1-4-5-8-7(2,3)6(9)10-5/h4H,1H2,2-3H3
InchI Key
QKPKBBFSFQAMIY-UHFFFAOYSA-N
SMILES
C=CC1=NC(C(=O)O1)(C)C
Canonical SMILES
CC1(C(=O)OC(=N1)C=C)C
Isomeric SMILES
CC1(C(=O)OC(=N1)C=C)C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C7H9NO2
Heavy Atom Count
10
Molecular Weight
139.154
Exact Molecular Weight
139.0633
Valence Electrons
54
Radical Electrons
0
tPSA
38.66
MolLogP
0.9063
H Bond Acceptors
3
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
1
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
0

MOL File


     RDKit          3D

 19 19  0  0  0  0  0  0  0  0999 V2000
    3.4933   -0.7731   -0.6012 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4992   -0.0032   -0.9462 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1668   -0.1148   -0.3134 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1428    0.6049   -0.5985 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0158    0.2839    0.1662 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5218   -0.8178    1.0264 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1382   -1.4778    1.9019 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8001   -1.0040    0.6830 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1409   -0.2754   -0.6837 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5268    1.4100    1.0179 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3835   -1.5217    0.1592 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4454   -0.6676   -1.0781 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6273    0.7376   -1.7064 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7195   -1.1671   -1.2120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9525   -0.6168   -0.0246 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4821    0.4259   -1.4445 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4339    1.0196    1.5514 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8609    2.2497    0.3563 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7658    1.7078    1.7463 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  5  9  1  0
  5 10  1  0
  8  3  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  9 14  1  0
  9 15  1  0
  9 16  1  0
 10 17  1  0
 10 18  1  0
 10 19  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers